#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s n TYR 2 N 0.00 0.00 0.16 2.98 4.19 -1.26 -4.75 117.16 118.48 2k1s n TYR 2 Ca 0.00 0.00 0.11 0.00 3.31 0.00 0.00 57.90 61.32 2k1s n TYR 2 Cb 0.00 0.16 0.08 0.00 0.49 0.00 0.00 39.34 40.07 2k1s n TYR 2 CO 0.00 0.00 0.00 1.98 0.91 0.00 0.00 176.86 179.75 2k1s h MET 3 N 0.00 0.00 -0.02 2.98 4.05 -2.01 -2.81 114.93 117.12 2k1s h MET 3 Ca 0.00 0.00 -0.17 0.00 -0.28 0.00 0.00 59.70 59.25 2k1s h MET 3 Cb 0.00 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 2k1s h MET 3 CO 0.00 0.02 -0.75 0.38 0.23 0.00 0.00 176.91 176.78 2k1s h ASP 4 N 0.00 0.19 1.73 1.39 2.03 -1.99 -1.14 116.42 118.63 2k1s h ASP 4 Ca -0.00 -0.14 -0.05 0.00 -0.73 0.00 0.00 57.03 56.11 2k1s h ASP 4 Cb 1.02 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.46 2k1s h ASP 4 CO 0.00 0.87 -0.27 1.62 -1.03 0.00 0.00 179.24 180.43 2k1s h VAL 5 N 0.10 0.37 0.14 4.15 3.04 -1.85 -2.60 116.25 119.60 2k1s h VAL 5 Ca -0.02 -1.53 -0.01 0.00 -1.01 0.00 0.00 66.70 64.13 2k1s h VAL 5 Cb 1.32 2.16 0.00 0.00 -2.01 0.00 0.00 31.29 32.77 2k1s h VAL 5 CO 0.11 0.21 -0.07 -0.61 -1.01 0.00 0.00 177.57 176.20 2k1s h GLN 6 N 0.00 -0.18 -0.26 4.17 4.15 -1.20 -1.70 115.11 120.09 2k1s h GLN 6 Ca -0.01 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 2k1s h GLN 6 Cb 1.17 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.89 2k1s h GLN 6 CO 0.03 0.13 0.04 1.05 -1.93 0.00 0.00 178.83 178.15 2k1s h GLU 7 N -0.49 0.37 -0.52 1.69 4.11 -1.26 -1.43 114.58 117.05 2k1s h GLU 7 Ca -0.02 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.36 2k1s h GLU 7 Cb 0.39 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 2k1s h GLU 7 CO 0.03 0.37 0.35 0.00 0.07 0.00 0.00 179.01 179.83 2k1s h ALA 8 N 1.68 0.66 -0.44 1.06 0.00 -1.34 0.29 119.26 121.18 2k1s h ALA 8 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2k1s h ALA 8 Cb 0.18 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k1s h ALA 8 CO -0.00 0.11 0.01 0.87 0.00 0.00 0.00 179.25 180.24 2k1s h LYS 9 N 0.71 0.71 -0.24 0.00 1.57 -0.36 -0.87 116.57 118.09 2k1s h LYS 9 Ca 0.19 -0.17 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2k1s h LYS 9 Cb -0.08 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2k1s h LYS 9 CO -0.04 0.71 -0.47 -0.07 -0.57 0.00 0.00 179.45 179.01 2k1s h LEU 10 N 0.67 0.82 -0.62 2.94 3.38 -0.85 0.17 115.31 121.82 2k1s h LEU 10 Ca 0.14 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.56 2k1s h LEU 10 Cb 0.40 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2k1s h LEU 10 CO 0.01 1.21 0.00 0.54 0.09 0.00 0.00 178.44 180.30 2k1s n ARG 11 N -4.14 0.16 -0.09 1.13 1.74 0.99 -0.30 116.66 116.15 2k1s n ARG 11 Ca -0.05 0.41 -0.13 0.00 -0.77 0.00 0.00 57.85 57.31 2k1s n ARG 11 Cb 0.58 -1.81 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 2k1s n ARG 11 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2k1s n ASP 12 N -2.11 1.89 0.05 0.55 -0.08 -0.36 -4.30 116.55 112.19 2k1s n ASP 12 Ca 0.02 0.45 -0.03 0.00 -1.51 0.00 0.00 54.79 53.72 2k1s n ASP 12 Cb 0.21 -0.83 -0.08 0.00 2.34 0.00 0.00 41.12 42.76 2k1s n ASP 12 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2k1s h LYS 13 N -1.00 0.00 -0.49 -0.67 3.64 -0.69 -3.33 116.57 114.03 2k1s h LYS 13 Ca -0.17 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.09 2k1s h LYS 13 Cb 0.98 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.72 2k1s h LYS 13 CO -0.10 0.53 0.10 -0.12 -2.27 0.00 0.00 179.45 177.59 2k1s n MET 14 N -3.10 3.10 -0.07 1.90 1.56 0.59 -4.53 117.12 116.57 2k1s n MET 14 Ca -0.06 -3.03 -0.21 0.00 -0.27 0.00 0.00 57.70 54.12 2k1s n MET 14 Cb 0.88 -2.01 -0.12 0.00 2.15 0.00 0.00 33.22 34.12 2k1s n MET 14 CO 0.00 0.00 0.00 -0.09 -0.73 0.00 0.00 175.97 175.15 2k1s h ARG 15 N 2.07 0.07 -0.65 2.12 2.43 -1.66 -3.38 114.38 115.38 2k1s h ARG 15 Ca 0.16 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2k1s h ARG 15 Cb 1.88 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 31.48 2k1s h ARG 15 CO 0.48 1.06 0.00 0.41 -1.51 0.00 0.00 179.97 180.41 2k1s n GLY 16 N 1.57 2.24 0.13 2.80 0.00 -1.26 -4.25 105.19 106.41 2k1s n GLY 16 Ca -0.30 -0.73 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2k1s n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k1s h THR 17 N 3.72 1.47 0.00 2.61 1.35 -1.82 -3.48 112.91 116.77 2k1s h THR 17 Ca 0.00 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.61 2k1s h THR 17 Cb 1.11 2.86 0.00 0.00 -1.73 0.00 0.00 68.15 70.39 2k1s h THR 17 CO 0.11 0.64 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 2k1s n GLY 18 N 1.31 0.68 3.71 5.82 0.00 -1.26 -5.10 105.19 110.34 2k1s n GLY 18 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2k1s n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 19 N -0.23 3.67 -0.64 1.61 1.01 -1.26 -4.66 120.40 119.90 2k1s s VAL 19 Ca 0.00 1.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.93 2k1s s VAL 19 Cb 0.00 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.69 2k1s s VAL 19 CO 0.00 0.07 0.94 -0.44 0.00 0.00 0.00 175.10 175.68 2k1s s SER 20 N 1.21 6.19 -0.62 3.32 0.01 0.04 -4.85 113.70 119.01 2k1s s SER 20 Ca 0.62 -0.93 -0.27 0.00 1.31 0.00 0.00 55.95 56.67 2k1s s SER 20 Cb -0.33 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.50 2k1s s SER 20 CO 0.29 -1.39 1.41 -0.69 0.41 0.00 0.00 173.24 173.27 2k1s s VAL 21 N 3.97 3.74 0.04 3.43 1.01 -1.26 -1.11 120.40 130.22 2k1s s VAL 21 Ca 0.22 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.76 2k1s s VAL 21 Cb -0.17 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.63 2k1s s VAL 21 CO 0.11 -1.34 0.21 -0.89 0.00 0.00 0.00 175.10 173.18 2k1s s THR 22 N 6.22 5.39 -0.11 3.92 2.01 0.15 -4.98 115.64 128.25 2k1s s THR 22 Ca 0.48 -0.27 0.03 0.00 0.31 0.00 0.00 61.69 62.25 2k1s s THR 22 Cb -0.10 -3.60 0.00 0.00 0.01 0.00 0.00 72.50 68.82 2k1s s THR 22 CO 0.22 0.21 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.54 2k1s s ARG 23 N -2.28 2.83 -0.48 4.92 6.06 -1.26 -0.53 118.95 128.20 2k1s s ARG 23 Ca 0.32 -0.80 0.03 0.00 -2.50 0.00 0.00 55.73 52.78 2k1s s ARG 23 Cb -0.13 -2.20 0.16 0.00 0.06 0.00 0.00 34.95 32.84 2k1s s ARG 23 CO 0.24 0.10 0.33 0.45 -2.50 0.00 0.00 175.30 173.92 2k1s s SER 24 N 0.53 3.03 1.74 -2.12 0.15 -0.53 -4.97 113.70 111.52 2k1s s SER 24 Ca -0.15 -3.01 0.00 0.00 0.70 0.00 0.00 55.95 53.49 2k1s s SER 24 Cb -0.17 -0.88 0.00 0.00 -1.71 0.00 0.00 66.02 63.26 2k1s s SER 24 CO 0.05 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.91 2k1s n GLY 25 N 2.99 2.94 0.01 9.45 0.00 -1.26 -1.21 105.19 118.11 2k1s n GLY 25 Ca 0.19 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.42 2k1s n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k1s n ASP 26 N 9.91 0.38 -4.75 1.61 5.75 -1.26 -4.84 116.55 123.36 2k1s n ASP 26 Ca 0.00 0.07 -0.36 0.00 -0.01 0.00 0.00 54.79 54.49 2k1s n ASP 26 Cb 0.00 -0.05 -0.07 0.00 -1.03 0.00 0.00 41.12 39.97 2k1s n ASP 26 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2k1s s ASN 27 N -3.21 6.41 -0.31 -1.12 0.01 -0.35 -4.50 114.94 111.88 2k1s s ASN 27 Ca 0.11 0.48 -0.14 0.00 -0.71 0.00 0.00 52.86 52.61 2k1s s ASN 27 Cb 0.17 -2.16 -0.03 0.00 0.41 0.00 0.00 41.25 39.65 2k1s s ASN 27 CO 0.64 0.15 0.32 -0.63 -1.51 0.00 0.00 177.10 176.07 2k1s s ILE 28 N 0.25 5.21 -0.37 0.60 1.01 -0.77 -1.45 121.20 125.67 2k1s s ILE 28 Ca 0.15 0.16 -0.09 0.00 0.00 0.00 0.00 60.65 60.88 2k1s s ILE 28 Cb -0.13 -3.72 0.04 0.00 0.01 0.00 0.00 42.46 38.66 2k1s s ILE 28 CO 0.03 0.04 0.18 -0.63 0.00 0.00 0.00 174.94 174.57 2k1s s ILE 29 N 1.95 4.26 -0.76 2.92 1.01 0.31 0.01 121.20 130.89 2k1s s ILE 29 Ca 0.11 -1.05 -0.21 0.00 0.00 0.00 0.00 60.65 59.49 2k1s s ILE 29 Cb -0.16 -3.43 0.09 0.00 0.01 0.00 0.00 42.46 38.96 2k1s s ILE 29 CO 0.11 -0.27 1.04 -0.76 0.00 0.00 0.00 174.94 175.05 2k1s s LEU 30 N 1.48 4.55 -0.71 2.97 1.02 0.11 0.33 118.68 128.44 2k1s s LEU 30 Ca 0.01 -1.34 -0.26 0.00 0.02 0.00 0.00 54.13 52.56 2k1s s LEU 30 Cb -0.20 -2.42 0.04 0.00 0.02 0.00 0.00 46.19 43.63 2k1s s LEU 30 CO 0.05 -1.33 1.18 0.21 0.02 0.00 0.00 176.35 176.48 2k1s s ASN 31 N 3.73 6.18 -0.35 2.29 3.84 -0.26 -1.39 114.94 128.98 2k1s s ASN 31 Ca 0.26 -0.57 -0.12 0.00 0.21 0.00 0.00 52.86 52.64 2k1s s ASN 31 Cb -0.12 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.05 2k1s s ASN 31 CO 0.03 -1.71 0.23 -0.04 -2.79 0.00 0.00 177.10 172.83 2k1s s MET 32 N 5.22 3.33 0.29 0.43 -1.94 -0.46 -0.78 119.30 125.39 2k1s s MET 32 Ca 0.32 -0.75 -0.30 0.00 -1.71 0.00 0.00 55.69 53.25 2k1s s MET 32 Cb -0.10 -3.78 -0.11 0.00 2.01 0.00 0.00 34.83 32.84 2k1s s MET 32 CO 0.14 -0.51 1.50 -2.14 -0.01 0.00 0.00 175.02 174.01 2k1s s PRO 33 N 1.68 4.19 0.50 2.03 0.02 -1.26 -1.20 135.00 140.96 2k1s s PRO 33 Ca 0.05 2.45 0.17 0.00 0.02 0.00 0.00 61.00 63.70 2k1s s PRO 33 Cb -0.18 -3.05 1.23 0.00 0.02 0.00 0.00 34.50 32.53 2k1s s PRO 33 CO 0.09 -0.51 2.08 -2.95 -0.33 0.00 0.00 177.00 175.39 2k1s h ASN 34 N 4.51 0.09 -0.11 2.53 7.08 -1.92 -2.83 115.58 124.93 2k1s h ASN 34 Ca -0.47 -0.00 0.04 0.00 -3.08 0.00 0.00 56.30 52.79 2k1s h ASN 34 Cb 1.22 -0.02 -0.06 0.00 -2.08 0.00 0.00 38.32 37.38 2k1s h ASN 34 CO 0.75 0.06 -0.28 0.78 -2.08 0.00 0.00 177.43 176.66 2k1s h ASN 35 N 0.11 -0.86 -0.20 6.14 4.21 -1.90 -0.82 115.58 122.24 2k1s h ASN 35 Ca 0.11 0.13 0.00 0.00 1.21 0.00 0.00 56.30 57.75 2k1s h ASN 35 Cb 0.32 0.37 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 2k1s h ASN 35 CO -0.01 -0.33 0.00 1.33 -1.29 0.00 0.00 177.43 177.13 2k1s n VAL 36 N -5.39 0.24 -0.08 2.81 0.24 -1.12 -4.41 118.33 110.63 2k1s n VAL 36 Ca -0.03 -0.62 -0.14 0.00 -2.04 0.00 0.00 64.34 61.51 2k1s n VAL 36 Cb 0.30 1.25 -0.06 0.00 -1.47 0.00 0.00 33.84 33.86 2k1s n VAL 36 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2k1s n THR 37 N 1.40 0.85 -3.78 3.34 -1.04 -1.09 -3.09 114.28 110.88 2k1s n THR 37 Ca 0.16 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2k1s n THR 37 Cb 0.60 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 2k1s n THR 37 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2k1s n PHE 38 N -3.36 0.00 -2.74 -1.42 3.01 -0.33 -2.69 117.46 109.93 2k1s n PHE 38 Ca -0.29 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.80 2k1s n PHE 38 Cb 0.74 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.15 2k1s n PHE 38 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 2k1s s ASP 39 N -0.55 7.26 0.45 4.37 -1.08 -1.12 -4.51 116.67 121.49 2k1s s ASP 39 Ca 0.00 1.87 0.14 0.00 -0.52 0.00 0.00 52.55 54.04 2k1s s ASP 39 Cb 0.00 -2.58 1.07 0.00 -1.46 0.00 0.00 42.92 39.95 2k1s s ASP 39 CO 0.00 -0.13 2.04 -1.28 0.52 0.00 0.00 175.17 176.32 2k1s h SER 40 N 3.09 0.28 0.00 -0.34 0.87 -1.88 -2.49 113.55 113.08 2k1s h SER 40 Ca -0.47 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 2k1s h SER 40 Cb 1.19 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 2k1s h SER 40 CO 0.65 0.19 -0.04 -1.20 -0.53 0.00 0.00 176.83 175.89 2k1s n SER 41 N -4.48 1.99 -3.12 6.23 7.64 -1.26 -4.98 113.62 115.64 2k1s n SER 41 Ca 0.05 -2.67 -0.18 0.00 1.01 0.00 0.00 58.87 57.08 2k1s n SER 41 Cb 0.25 -0.30 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 2k1s n SER 41 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2k1s n SER 42 N -1.05 0.86 -0.39 6.43 7.64 -0.94 -5.06 113.62 121.11 2k1s n SER 42 Ca 0.10 -2.59 0.09 0.00 1.01 0.00 0.00 58.87 57.48 2k1s n SER 42 Cb 0.55 0.84 0.18 0.00 -1.01 0.00 0.00 64.21 64.76 2k1s n SER 42 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1s n ALA 43 N -1.54 2.52 -2.68 -0.43 0.00 -1.26 -4.34 120.51 112.78 2k1s n ALA 43 Ca -0.11 -2.37 -0.39 0.00 0.00 0.00 0.00 53.44 50.57 2k1s n ALA 43 Cb 0.45 -0.49 -0.06 0.00 0.00 0.00 0.00 19.45 19.35 2k1s n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k1s s THR 44 N -2.69 5.09 -0.05 0.00 2.01 -1.26 -4.52 115.64 114.22 2k1s s THR 44 Ca 0.34 1.06 -0.30 0.00 0.31 0.00 0.00 61.69 63.10 2k1s s THR 44 Cb 0.28 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 2k1s s THR 44 CO 0.05 0.19 1.38 -0.76 -0.69 0.00 0.00 174.62 174.79 2k1s s LEU 45 N 1.47 4.28 0.44 4.42 1.43 -1.26 -2.80 118.68 126.66 2k1s s LEU 45 Ca 0.27 2.00 -0.03 0.00 -1.03 0.00 0.00 54.13 55.34 2k1s s LEU 45 Cb -0.16 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 2k1s s LEU 45 CO 0.11 -0.74 0.71 -1.59 0.23 0.00 0.00 176.35 175.07 2k1s s LYS 46 N 2.84 3.50 0.26 1.70 -2.85 -1.09 -4.81 119.74 119.29 2k1s s LYS 46 Ca 0.62 0.01 -0.04 0.00 -1.00 0.00 0.00 55.97 55.57 2k1s s LYS 46 Cb -0.29 -2.47 0.54 0.00 -2.06 0.00 0.00 37.83 33.56 2k1s s LYS 46 CO 0.24 -0.10 1.63 -1.35 0.10 0.00 0.00 175.35 175.87 2k1s h PRO 47 N 0.39 0.12 0.18 1.78 0.11 -1.95 0.38 132.00 133.01 2k1s h PRO 47 Ca -0.48 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2k1s h PRO 47 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2k1s h PRO 47 CO 0.61 0.08 -0.10 0.00 -0.21 0.00 0.00 178.00 178.39 2k1s h ALA 48 N 1.76 -0.26 -0.57 -0.75 0.00 -1.92 -0.93 119.26 116.60 2k1s h ALA 48 Ca 0.47 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 2k1s h ALA 48 Cb 0.88 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2k1s h ALA 48 CO -0.69 -0.65 0.14 0.78 0.00 0.00 0.00 179.25 178.83 2k1s h GLY 49 N -0.26 0.94 0.93 0.00 0.00 -1.08 -0.64 103.07 102.96 2k1s h GLY 49 Ca -0.02 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 2k1s h GLY 49 CO 0.03 0.51 -0.07 0.00 0.00 0.00 0.00 176.54 177.02 2k1s h ALA 50 N 1.31 -0.19 -0.56 3.60 0.00 -0.07 0.40 119.26 123.75 2k1s h ALA 50 Ca 0.19 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2k1s h ALA 50 Cb 0.30 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k1s h ALA 50 CO -0.00 -0.57 0.10 -0.97 0.00 0.00 0.00 179.25 177.81 2k1s h ASN 51 N -0.26 0.83 0.17 0.00 -1.24 -1.05 0.38 115.58 114.41 2k1s h ASN 51 Ca -0.02 -0.17 0.01 0.00 0.71 0.00 0.00 56.30 56.83 2k1s h ASN 51 Cb 0.21 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 2k1s h ASN 51 CO 0.03 0.83 -0.20 0.74 -1.29 0.00 0.00 177.43 177.54 2k1s h THR 52 N 0.84 0.55 -0.08 -3.57 2.02 -0.85 -2.06 112.91 109.76 2k1s h THR 52 Ca 0.18 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 2k1s h THR 52 Cb 0.35 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 2k1s h THR 52 CO 0.00 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.56 2k1s h LEU 53 N -0.42 0.14 -0.89 2.58 3.38 -0.63 -2.17 115.31 117.31 2k1s h LEU 53 Ca 0.01 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2k1s h LEU 53 Cb 0.41 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2k1s h LEU 53 CO -0.07 0.41 0.58 0.74 0.09 0.00 0.00 178.44 180.18 2k1s h THR 54 N 0.13 1.23 -0.38 0.22 2.02 -0.56 0.28 112.91 115.85 2k1s h THR 54 Ca 0.02 -0.45 -0.13 0.00 0.77 0.00 0.00 66.41 66.62 2k1s h THR 54 Cb 0.54 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2k1s h THR 54 CO 0.04 0.23 -0.29 1.23 0.37 0.00 0.00 175.52 177.10 2k1s h GLY 55 N 1.21 0.89 0.83 2.16 0.00 -0.86 -1.68 103.07 105.62 2k1s h GLY 55 Ca 0.32 -0.82 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 2k1s h GLY 55 CO -0.07 0.74 -0.04 -2.08 0.00 0.00 0.00 176.54 175.09 2k1s h VAL 56 N 0.69 1.02 -0.04 4.60 2.07 -0.77 -2.62 116.25 121.20 2k1s h VAL 56 Ca 0.08 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.20 2k1s h VAL 56 Cb 0.83 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 2k1s h VAL 56 CO 0.07 0.09 -0.12 0.00 0.02 0.00 0.00 177.57 177.63 2k1s h ALA 57 N 0.61 1.73 -0.34 1.67 0.00 -0.47 0.12 119.26 122.59 2k1s h ALA 57 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2k1s h ALA 57 Cb 0.24 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k1s h ALA 57 CO 0.02 0.20 0.16 1.98 0.00 0.00 0.00 179.25 181.61 2k1s h MET 58 N 0.06 0.48 -0.32 0.00 -1.53 -1.12 0.13 114.93 112.63 2k1s h MET 58 Ca 0.01 -0.07 -0.17 0.00 -3.44 0.00 0.00 59.70 56.03 2k1s h MET 58 Cb 0.25 -0.09 -0.00 0.00 -0.55 0.00 0.00 31.60 31.21 2k1s h MET 58 CO 0.02 0.44 -0.46 0.28 0.14 0.00 0.00 176.91 177.33 2k1s h VAL 59 N 0.41 1.28 0.00 -5.77 2.07 -0.96 -2.55 116.25 110.72 2k1s h VAL 59 Ca 0.12 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.98 2k1s h VAL 59 Cb 0.12 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k1s h VAL 59 CO -0.01 0.54 -0.04 -0.07 0.02 0.00 0.00 177.57 178.01 2k1s h LEU 60 N 0.68 0.00 0.06 2.57 3.38 -0.58 -1.33 115.31 120.09 2k1s h LEU 60 Ca 0.04 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.75 2k1s h LEU 60 Cb 1.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.82 2k1s h LEU 60 CO 0.10 0.04 -1.04 0.50 0.09 0.00 0.00 178.44 178.13 2k1s h LYS 61 N 0.00 0.59 -0.54 1.13 3.64 -0.51 -3.31 116.57 117.57 2k1s h LYS 61 Ca -0.00 -0.72 -0.07 0.00 -1.27 0.00 0.00 60.65 58.59 2k1s h LYS 61 Cb 0.41 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 2k1s h LYS 61 CO 0.00 1.31 0.04 1.49 -2.27 0.00 0.00 179.45 180.02 2k1s h GLU 62 N 0.19 0.89 -3.76 1.90 4.81 -0.97 -3.35 114.58 114.30 2k1s h GLU 62 Ca -0.15 -0.24 -0.69 0.00 -0.13 0.00 0.00 59.36 58.15 2k1s h GLU 62 Cb 1.72 -0.11 -0.35 0.00 0.63 0.00 0.00 28.75 30.64 2k1s h GLU 62 CO 0.20 0.86 -0.41 0.71 -0.73 0.00 0.00 179.01 179.64 2k1s s TYR 63 N -5.06 3.44 -1.02 0.92 2.02 -0.57 -4.96 117.35 112.12 2k1s s TYR 63 Ca -0.10 -2.67 0.03 0.00 -0.37 0.00 0.00 57.07 53.96 2k1s s TYR 63 Cb 0.15 -3.19 0.18 0.00 -0.40 0.00 0.00 41.96 38.69 2k1s s TYR 63 CO 0.82 -0.86 0.84 -0.35 -1.57 0.00 0.00 175.55 174.43 2k1s n PRO 64 N 3.69 1.80 -0.26 -1.71 -0.04 -1.25 -3.40 135.00 133.83 2k1s n PRO 64 Ca 0.06 -0.70 0.10 0.00 -0.04 0.00 0.00 63.50 62.92 2k1s n PRO 64 Cb 0.38 -1.59 0.24 0.00 -0.04 0.00 0.00 33.50 32.50 2k1s n PRO 64 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2k1s n LYS 65 N 0.12 2.60 -3.52 0.54 2.85 -1.26 -4.93 118.16 114.56 2k1s n LYS 65 Ca 0.06 -2.35 -0.37 0.00 -1.05 0.00 0.00 58.31 54.59 2k1s n LYS 65 Cb 0.41 -1.47 -0.09 0.00 -0.65 0.00 0.00 35.03 33.24 2k1s n LYS 65 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2k1s s THR 66 N -1.12 5.27 -0.13 0.58 -4.23 -1.22 -0.48 115.64 114.31 2k1s s THR 66 Ca 0.39 0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 61.15 2k1s s THR 66 Cb 0.21 -3.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.39 2k1s s THR 66 CO 0.28 0.29 0.52 0.00 -0.54 0.00 0.00 174.62 175.16 2k1s s ALA 67 N 1.28 3.48 -0.61 3.99 0.00 0.14 -4.88 121.76 125.16 2k1s s ALA 67 Ca 0.13 -0.20 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 2k1s s ALA 67 Cb -0.14 -2.73 0.16 0.00 0.00 0.00 0.00 23.12 20.40 2k1s s ALA 67 CO 0.07 -0.13 0.54 0.08 0.00 0.00 0.00 175.76 176.32 2k1s s VAL 68 N 0.91 4.99 -0.68 0.00 1.01 0.17 -0.38 120.40 126.42 2k1s s VAL 68 Ca 0.27 -1.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.08 2k1s s VAL 68 Cb -0.15 -4.18 0.08 0.00 0.00 0.00 0.00 36.38 32.12 2k1s s VAL 68 CO 0.11 -0.90 0.96 0.20 0.00 0.00 0.00 175.10 175.47 2k1s s ASN 69 N 2.77 6.23 -0.55 3.32 -0.87 0.55 0.15 114.94 126.54 2k1s s ASN 69 Ca 0.09 -1.16 -0.20 0.00 -1.57 0.00 0.00 52.86 50.02 2k1s s ASN 69 Cb -0.23 -2.40 0.07 0.00 -0.02 0.00 0.00 41.25 38.67 2k1s s ASN 69 CO -0.02 -1.36 0.71 -0.69 -2.57 0.00 0.00 177.10 173.17 2k1s s VAL 70 N 3.76 4.76 -0.42 1.60 1.01 0.14 -0.36 120.40 130.89 2k1s s VAL 70 Ca 0.22 -0.53 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2k1s s VAL 70 Cb -0.16 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 31.84 2k1s s VAL 70 CO 0.07 -0.98 0.33 -0.63 0.00 0.00 0.00 175.10 173.89 2k1s s ILE 71 N 2.91 5.24 -0.33 2.22 -1.09 -0.40 -0.71 121.20 129.03 2k1s s ILE 71 Ca 0.16 -0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 2k1s s ILE 71 Cb -0.20 -3.97 0.02 0.00 -1.58 0.00 0.00 42.46 36.73 2k1s s ILE 71 CO 0.11 -0.36 1.06 -0.83 -1.23 0.00 0.00 174.94 173.69 2k1s s GLY 72 N 1.81 1.54 0.07 6.18 0.00 0.37 -2.32 107.32 114.98 2k1s s GLY 72 Ca 0.06 -0.13 0.03 0.00 0.00 0.00 0.00 44.72 44.68 2k1s s GLY 72 CO 0.10 2.24 0.06 -0.19 0.00 0.00 0.00 173.10 175.31 2k1s s TYR 73 N 3.67 3.14 0.03 1.90 2.02 -0.88 -1.21 117.35 126.02 2k1s s TYR 73 Ca 0.44 0.06 -0.07 0.00 -0.37 0.00 0.00 57.07 57.14 2k1s s TYR 73 Cb -0.12 -1.61 -0.00 0.00 -0.40 0.00 0.00 41.96 39.83 2k1s s TYR 73 CO 0.17 0.51 0.14 0.95 -1.57 0.00 0.00 175.55 175.75 2k1s s THR 74 N -1.34 0.11 0.00 -0.71 -4.23 -1.20 -3.68 115.64 104.60 2k1s s THR 74 Ca 0.27 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2k1s s THR 74 Cb -0.12 -0.79 0.00 0.00 1.34 0.00 0.00 72.50 72.93 2k1s s THR 74 CO 0.20 -0.51 0.12 -0.90 -0.54 0.00 0.00 174.62 172.99 2k1s n ASP 75 N 0.90 0.00 -0.55 3.99 5.75 -1.26 -2.87 116.55 122.52 2k1s n ASP 75 Ca -0.20 0.13 -0.01 0.00 -0.01 0.00 0.00 54.79 54.71 2k1s n ASP 75 Cb 0.58 -0.01 -0.01 0.00 -1.03 0.00 0.00 41.12 40.65 2k1s n ASP 75 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2k1s n SER 76 N -0.53 -0.09 -4.55 -1.12 3.41 -1.26 -4.46 113.62 105.01 2k1s n SER 76 Ca 0.00 -0.18 -0.38 0.00 -0.26 0.00 0.00 58.87 58.04 2k1s n SER 76 Cb 0.00 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2k1s n SER 76 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2k1s s THR 77 N 0.00 3.55 0.00 6.66 2.01 -1.26 -4.78 115.64 121.83 2k1s s THR 77 Ca 0.00 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.12 2k1s s THR 77 Cb 0.00 -4.42 0.00 0.00 0.01 0.00 0.00 72.50 68.09 2k1s s THR 77 CO 0.00 -1.36 0.00 0.61 -0.69 0.00 0.00 174.62 173.18 2k1s n GLY 78 N 5.83 2.05 3.63 4.40 0.00 -1.26 -4.76 105.19 115.07 2k1s n GLY 78 Ca 0.17 -0.47 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2k1s n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1s s GLY 79 N 0.00 1.33 0.53 -0.02 0.00 -1.26 -4.88 107.32 103.03 2k1s s GLY 79 Ca 0.00 0.14 0.19 0.00 0.00 0.00 0.00 44.72 45.05 2k1s s GLY 79 CO 0.00 2.67 2.17 1.12 0.00 0.00 0.00 173.10 179.06 2k1s h HIS 80 N 9.65 0.00 0.15 1.90 2.07 -1.90 0.21 115.15 127.23 2k1s h HIS 80 Ca -0.27 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 56.95 2k1s h HIS 80 Cb 1.11 0.00 0.02 0.00 2.57 0.00 0.00 27.41 31.11 2k1s h HIS 80 CO 0.89 0.00 -1.28 0.38 -3.07 0.00 0.00 177.93 174.86 2k1s h ASP 81 N 0.00 0.70 -0.44 3.10 2.03 -1.98 -2.09 116.42 117.74 2k1s h ASP 81 Ca 0.00 -0.69 -0.06 0.00 -0.73 0.00 0.00 57.03 55.55 2k1s h ASP 81 Cb 0.02 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.28 2k1s h ASP 81 CO -0.00 1.52 0.04 -0.07 -1.03 0.00 0.00 179.24 179.70 2k1s h LEU 82 N 0.18 0.73 -0.97 0.15 3.38 -1.66 -1.21 115.31 115.90 2k1s h LEU 82 Ca -0.18 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2k1s h LEU 82 Cb 1.97 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2k1s h LEU 82 CO 0.23 0.83 0.49 0.78 0.09 0.00 0.00 178.44 180.86 2k1s h ASN 83 N 0.60 1.08 0.32 -0.43 -0.26 -0.68 -0.40 115.58 115.82 2k1s h ASN 83 Ca 0.13 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.77 2k1s h ASN 83 Cb 0.43 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 2k1s h ASN 83 CO 0.01 0.86 -0.16 -0.03 -1.06 0.00 0.00 177.43 177.06 2k1s h MET 84 N 1.22 -0.42 -0.05 0.81 4.05 -0.98 0.36 114.93 119.91 2k1s h MET 84 Ca 0.31 0.03 -0.09 0.00 -0.28 0.00 0.00 59.70 59.67 2k1s h MET 84 Cb 0.01 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.89 2k1s h MET 84 CO -0.05 -0.23 -0.39 0.07 0.23 0.00 0.00 176.91 176.54 2k1s h ARG 85 N -0.51 0.11 -0.71 0.39 0.11 -1.14 -1.22 114.38 111.42 2k1s h ARG 85 Ca -0.04 -0.05 -0.07 0.00 0.10 0.00 0.00 59.98 59.91 2k1s h ARG 85 Cb 0.39 -0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.43 2k1s h ARG 85 CO 0.07 0.49 0.16 1.25 0.10 0.00 0.00 179.97 182.05 2k1s h LEU 86 N 0.10 1.09 -0.87 0.08 5.85 -0.89 -1.12 115.31 119.55 2k1s h LEU 86 Ca 0.01 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 2k1s h LEU 86 Cb 0.74 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2k1s h LEU 86 CO 0.06 1.05 -0.18 0.28 -0.34 0.00 0.00 178.44 179.30 2k1s h SER 87 N 1.08 0.63 0.17 1.25 0.02 -0.32 0.53 113.55 116.92 2k1s h SER 87 Ca 0.22 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2k1s h SER 87 Cb 0.39 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2k1s h SER 87 CO 0.01 0.82 -0.08 -0.61 -1.14 0.00 0.00 176.83 175.82 2k1s h GLN 88 N 0.57 -0.23 -0.87 3.45 -0.00 -0.88 0.48 115.11 117.64 2k1s h GLN 88 Ca 0.09 0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.76 2k1s h GLN 88 Cb 0.63 0.05 -0.04 0.00 0.00 0.00 0.00 27.48 28.12 2k1s h GLN 88 CO 0.04 0.02 0.55 1.96 0.00 0.00 0.00 178.83 181.40 2k1s h GLN 89 N -0.45 1.16 -0.32 1.69 1.08 -1.12 0.26 115.11 117.41 2k1s h GLN 89 Ca -0.02 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 2k1s h GLN 89 Cb 0.35 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 27.51 2k1s h GLN 89 CO 0.04 0.79 0.12 -0.09 -0.95 0.00 0.00 178.83 178.74 2k1s h ARG 90 N 1.19 0.49 -0.24 1.46 2.43 -0.75 0.14 114.38 119.10 2k1s h ARG 90 Ca 0.32 -0.10 -0.11 0.00 -0.81 0.00 0.00 59.98 59.28 2k1s h ARG 90 Cb -0.09 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2k1s h ARG 90 CO -0.06 0.51 -0.31 0.00 -1.51 0.00 0.00 179.97 178.61 2k1s h ALA 91 N 0.96 1.03 -0.38 2.80 0.00 -0.62 -2.77 119.26 120.27 2k1s h ALA 91 Ca 0.11 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 2k1s h ALA 91 Cb 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2k1s h ALA 91 CO -0.01 0.59 -0.21 0.22 0.00 0.00 0.00 179.25 179.84 2k1s h ASP 92 N 0.42 0.76 -0.77 0.00 3.58 -0.09 -0.91 116.42 119.41 2k1s h ASP 92 Ca 0.05 -0.27 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2k1s h ASP 92 Cb 0.75 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 2k1s h ASP 92 CO 0.06 0.96 0.48 -1.28 -2.88 0.00 0.00 179.24 176.58 2k1s h SER 93 N 0.66 0.91 0.28 2.28 0.87 -0.53 0.49 113.55 118.51 2k1s h SER 93 Ca 0.09 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.60 2k1s h SER 93 Cb 0.72 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 2k1s h SER 93 CO 0.06 0.69 -0.18 0.58 -0.53 0.00 0.00 176.83 177.44 2k1s h VAL 94 N 1.05 0.62 -0.48 2.23 2.07 -1.19 -1.43 116.25 119.12 2k1s h VAL 94 Ca 0.28 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.84 2k1s h VAL 94 Cb -0.07 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2k1s h VAL 94 CO -0.06 0.00 0.25 0.00 0.02 0.00 0.00 177.57 177.78 2k1s h ALA 95 N 0.25 0.61 -0.92 1.67 0.00 -0.72 -2.13 119.26 118.02 2k1s h ALA 95 Ca -0.03 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k1s h ALA 95 Cb 0.38 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 2k1s h ALA 95 CO 0.02 -0.10 0.55 1.03 0.00 0.00 0.00 179.25 180.76 2k1s h SER 96 N 0.49 1.11 -0.82 0.00 0.87 0.08 -0.73 113.55 114.54 2k1s h SER 96 Ca 0.21 -0.07 -0.03 0.00 -1.23 0.00 0.00 61.79 60.67 2k1s h SER 96 Cb 0.11 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 2k1s h SER 96 CO -0.14 0.85 0.40 0.00 -0.53 0.00 0.00 176.83 177.41 2k1s h ALA 97 N 1.34 1.15 -0.04 6.23 0.00 -0.67 0.12 119.26 127.38 2k1s h ALA 97 Ca 0.33 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2k1s h ALA 97 Cb -0.05 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.41 2k1s h ALA 97 CO -0.06 0.65 0.02 -0.07 0.00 0.00 0.00 179.25 179.78 2k1s h LEU 98 N 1.17 0.05 -1.18 0.00 3.38 -0.73 -2.73 115.31 115.28 2k1s h LEU 98 Ca 0.28 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.14 2k1s h LEU 98 Cb 0.11 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2k1s h LEU 98 CO -0.04 0.17 0.56 0.40 0.09 0.00 0.00 178.44 179.63 2k1s h ILE 99 N -0.08 1.19 -0.74 1.22 2.04 -0.74 -1.32 117.51 119.08 2k1s h ILE 99 Ca 0.01 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.59 2k1s h ILE 99 Cb 0.14 -0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 36.12 2k1s h ILE 99 CO -0.00 0.20 0.37 0.74 0.00 0.00 0.00 178.15 179.46 2k1s h THR 100 N 1.11 0.82 -0.10 -0.27 2.02 -0.55 -2.69 112.91 113.25 2k1s h THR 100 Ca 0.32 -0.21 -0.15 0.00 0.77 0.00 0.00 66.41 67.14 2k1s h THR 100 Cb -0.07 0.16 0.01 0.00 -1.74 0.00 0.00 68.15 66.50 2k1s h THR 100 CO -0.08 0.11 -0.51 1.56 0.37 0.00 0.00 175.52 176.97 2k1s h GLN 101 N 0.61 0.52 0.00 6.66 1.08 -1.00 -3.47 115.11 119.51 2k1s h GLN 101 Ca 0.37 -0.43 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2k1s h GLN 101 Cb 0.42 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 2k1s h GLN 101 CO -0.29 1.06 0.00 0.41 -0.95 0.00 0.00 178.83 179.06 2k1s n GLY 102 N 0.72 0.00 3.56 3.46 0.00 -0.60 -5.05 105.19 107.29 2k1s n GLY 102 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 2k1s n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 103 N 0.00 4.21 0.11 1.61 1.01 -0.72 -4.70 120.40 121.92 2k1s s VAL 103 Ca 0.00 -0.25 -0.31 0.00 0.00 0.00 0.00 61.98 61.42 2k1s s VAL 103 Cb 0.00 -2.85 -0.11 0.00 0.00 0.00 0.00 36.38 33.43 2k1s s VAL 103 CO 0.00 0.50 1.85 0.47 0.00 0.00 0.00 175.10 177.92 2k1s n ASP 104 N 3.31 4.02 0.26 3.32 8.00 -1.26 -3.94 116.55 130.27 2k1s n ASP 104 Ca -0.17 0.98 0.12 0.00 0.71 0.00 0.00 54.79 56.43 2k1s n ASP 104 Cb 0.53 -1.54 0.71 0.00 -0.02 0.00 0.00 41.12 40.80 2k1s n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k1s h ALA 105 N 8.68 1.31 0.00 2.24 0.00 -1.95 -1.50 119.26 128.04 2k1s h ALA 105 Ca -0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.29 2k1s h ALA 105 Cb 1.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2k1s h ALA 105 CO 0.95 0.15 -0.21 0.77 0.00 0.00 0.00 179.25 180.91 2k1s h SER 106 N 0.00 0.00 0.60 0.00 0.02 -2.02 -2.13 113.55 110.02 2k1s h SER 106 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k1s h SER 106 Cb 0.33 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2k1s h SER 106 CO 0.02 0.21 -0.31 0.54 -1.14 0.00 0.00 176.83 176.15 2k1s n ARG 107 N -3.68 0.13 -3.74 3.45 1.74 -0.57 -4.82 116.66 109.16 2k1s n ARG 107 Ca -0.01 -0.06 -0.36 0.00 -0.77 0.00 0.00 57.85 56.64 2k1s n ARG 107 Cb 0.33 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.17 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k1s s ILE 108 N -2.91 4.96 -0.43 0.55 1.01 -0.80 0.46 121.20 124.03 2k1s s ILE 108 Ca 0.15 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2k1s s ILE 108 Cb 0.18 -3.31 0.08 0.00 0.01 0.00 0.00 42.46 39.42 2k1s s ILE 108 CO 0.62 0.35 0.29 -0.60 0.00 0.00 0.00 174.94 175.60 2k1s s ARG 109 N 1.21 2.70 -0.50 2.79 6.06 0.12 -4.94 118.95 126.39 2k1s s ARG 109 Ca 0.06 -1.43 -0.17 0.00 -2.50 0.00 0.00 55.73 51.69 2k1s s ARG 109 Cb -0.14 -3.86 0.08 0.00 0.06 0.00 0.00 34.95 31.08 2k1s s ARG 109 CO 0.05 -0.97 0.52 0.99 -2.50 0.00 0.00 175.30 173.39 2k1s s THR 110 N 1.48 5.05 -0.29 4.11 2.01 -1.26 0.28 115.64 127.02 2k1s s THR 110 Ca 0.03 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.14 2k1s s THR 110 Cb -0.23 -4.25 0.05 0.00 0.01 0.00 0.00 72.50 68.08 2k1s s THR 110 CO 0.03 -0.75 -0.02 -1.10 -0.69 0.00 0.00 174.62 172.09 2k1s s GLN 111 N 2.12 2.41 -1.21 4.92 -1.52 0.11 -5.00 119.66 121.49 2k1s s GLN 111 Ca 0.09 -1.27 -0.12 0.00 -1.95 0.00 0.00 55.36 52.11 2k1s s GLN 111 Cb -0.23 -3.12 0.18 0.00 -0.22 0.00 0.00 33.01 29.63 2k1s s GLN 111 CO 0.08 -0.60 1.50 0.41 -0.25 0.00 0.00 175.29 176.43 2k1s n GLY 112 N 4.59 3.73 0.11 3.09 0.00 -1.26 -0.47 105.19 114.97 2k1s n GLY 112 Ca -0.13 -2.09 -0.16 0.00 0.00 0.00 0.00 46.02 43.63 2k1s n GLY 112 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2k1s h LEU 113 N 9.04 0.42 0.00 0.99 3.38 -1.78 -3.40 115.31 123.96 2k1s h LEU 113 Ca 0.32 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2k1s h LEU 113 Cb 0.82 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k1s h LEU 113 CO 1.30 1.40 0.00 0.61 0.09 0.00 0.00 178.44 181.84 2k1s n GLY 114 N 1.59 1.42 1.14 0.83 0.00 -0.35 -3.45 105.19 106.37 2k1s n GLY 114 Ca -0.12 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2k1s n GLY 114 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k1s n PRO 115 N 12.71 0.88 0.06 1.61 -0.02 -1.14 -3.24 135.00 145.86 2k1s n PRO 115 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 2k1s n PRO 115 Cb 0.00 -1.06 -0.06 0.00 -0.02 0.00 0.00 33.50 32.36 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k1s h ALA 116 N 1.83 0.64 -2.80 3.55 0.00 -1.84 -3.42 119.26 117.22 2k1s h ALA 116 Ca 0.00 -0.80 -0.56 0.00 0.00 0.00 0.00 54.91 53.55 2k1s h ALA 116 Cb 0.88 0.15 -0.40 0.00 0.00 0.00 0.00 17.79 18.42 2k1s h ALA 116 CO 0.00 0.94 -0.79 1.21 0.00 0.00 0.00 179.25 180.60 2k1s s ASN 117 N -6.11 3.46 -0.32 0.00 3.84 -1.26 -5.11 114.94 109.45 2k1s s ASN 117 Ca -0.01 -1.65 -0.21 0.00 0.21 0.00 0.00 52.86 51.20 2k1s s ASN 117 Cb 0.08 -0.47 -0.01 0.00 -0.55 0.00 0.00 41.25 40.30 2k1s s ASN 117 CO 0.79 -0.39 0.65 -2.16 -2.79 0.00 0.00 177.10 173.20 2k1s s PRO 118 N 1.66 3.86 0.26 0.43 0.05 -1.26 -4.93 135.00 135.07 2k1s s PRO 118 Ca 0.12 0.28 0.10 0.00 0.05 0.00 0.00 61.00 61.54 2k1s s PRO 118 Cb -0.19 -3.74 0.31 0.00 0.05 0.00 0.00 34.50 30.94 2k1s s PRO 118 CO -0.23 -0.62 1.59 0.97 0.05 0.00 0.00 177.00 178.76 2k1s h ILE 119 N 5.58 1.45 -3.12 0.56 2.10 -1.93 -3.46 117.51 118.69 2k1s h ILE 119 Ca -0.26 -2.17 -0.44 0.00 1.08 0.00 0.00 64.86 63.06 2k1s h ILE 119 Cb 1.11 2.17 -0.14 0.00 -1.09 0.00 0.00 36.82 38.87 2k1s h ILE 119 CO 0.82 0.62 -0.60 0.00 -1.08 0.00 0.00 178.15 177.91 2k1s s ALA 120 N -3.58 2.23 0.13 0.18 0.00 -1.26 -5.12 121.76 114.34 2k1s s ALA 120 Ca -0.01 -1.91 -0.30 0.00 0.00 0.00 0.00 51.96 49.74 2k1s s ALA 120 Cb 0.12 0.80 -0.07 0.00 0.00 0.00 0.00 23.12 23.97 2k1s s ALA 120 CO 0.77 -0.36 1.25 -1.54 0.00 0.00 0.00 175.76 175.88 2k1s s SER 121 N -3.45 7.01 0.00 0.00 1.04 -1.26 -4.80 113.70 112.24 2k1s s SER 121 Ca 0.35 2.19 0.27 0.00 0.48 0.00 0.00 55.95 59.25 2k1s s SER 121 Cb 0.08 -2.59 1.50 0.00 0.10 0.00 0.00 66.02 65.11 2k1s s SER 121 CO 0.15 -0.49 1.95 0.59 0.98 0.00 0.00 173.24 176.42 2k1s n ASN 122 N 3.35 0.00 0.11 7.02 3.02 -1.26 -2.56 115.26 124.93 2k1s n ASN 122 Ca 0.08 -0.52 0.13 0.00 -0.03 0.00 0.00 54.58 54.24 2k1s n ASN 122 Cb 0.45 -0.13 0.37 0.00 -0.61 0.00 0.00 39.78 39.86 2k1s n ASN 122 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k1s h SER 123 N 0.00 0.00 -3.51 6.41 0.02 -1.96 -3.43 113.55 111.07 2k1s h SER 123 Ca 0.00 -0.02 -0.66 0.00 -0.84 0.00 0.00 61.79 60.27 2k1s h SER 123 Cb 0.11 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.50 2k1s h SER 123 CO 0.00 0.01 -0.70 0.42 -1.14 0.00 0.00 176.83 175.42 2k1s s THR 124 N -3.11 3.68 0.25 -2.27 -4.23 -1.06 -5.02 115.64 103.88 2k1s s THR 124 Ca 0.10 -0.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 2k1s s THR 124 Cb 0.12 -2.68 0.04 0.00 1.34 0.00 0.00 72.50 71.31 2k1s s THR 124 CO 0.61 0.23 1.66 0.00 -0.54 0.00 0.00 174.62 176.58 2k1s h ALA 125 N 3.93 0.98 -0.56 3.99 0.00 -1.86 0.13 119.26 125.87 2k1s h ALA 125 Ca -0.48 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.02 2k1s h ALA 125 Cb 1.17 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 2k1s h ALA 125 CO 0.55 0.60 0.28 0.93 0.00 0.00 0.00 179.25 181.62 2k1s h GLU 126 N 0.46 0.80 -0.06 0.00 5.08 -1.95 -0.99 114.58 117.92 2k1s h GLU 126 Ca 0.06 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.07 2k1s h GLU 126 Cb 0.77 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.89 2k1s h GLU 126 CO 0.06 0.64 -0.87 0.78 -1.00 0.00 0.00 179.01 178.63 2k1s h GLY 127 N 0.76 0.76 0.68 -3.84 0.00 -1.63 -2.01 103.07 97.80 2k1s h GLY 127 Ca 0.19 -1.23 0.04 0.00 0.00 0.00 0.00 47.33 46.34 2k1s h GLY 127 CO -0.03 1.09 0.09 1.70 0.00 0.00 0.00 176.54 179.39 2k1s h LYS 128 N 0.36 0.21 0.00 4.80 3.64 -0.62 0.11 116.57 125.07 2k1s h LYS 128 Ca -0.09 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 2k1s h LYS 128 Cb 1.52 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 33.28 2k1s h LYS 128 CO 0.17 0.14 -0.52 0.00 -2.27 0.00 0.00 179.45 176.97 2k1s h ALA 129 N 1.22 1.04 0.00 5.00 0.00 -1.24 -2.91 119.26 122.36 2k1s h ALA 129 Ca 0.15 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 2k1s h ALA 129 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k1s h ALA 129 CO -0.17 0.65 -0.51 0.37 0.00 0.00 0.00 179.25 179.60 2k1s h GLN 130 N 0.00 0.00 0.10 0.00 4.15 -0.55 -3.24 115.11 115.57 2k1s h GLN 130 Ca -0.01 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.13 2k1s h GLN 130 Cb 0.98 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.70 2k1s h GLN 130 CO 0.07 0.51 -1.20 -0.91 -1.93 0.00 0.00 178.83 175.36 2k1s h ASN 131 N 0.00 0.80 -0.80 -0.69 2.35 -0.63 -3.40 115.58 113.20 2k1s h ASN 131 Ca -0.01 -0.73 -0.39 0.00 -0.55 0.00 0.00 56.30 54.63 2k1s h ASN 131 Cb 1.15 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 39.21 2k1s h ASN 131 CO 0.07 1.54 1.01 0.00 -1.65 0.00 0.00 177.43 178.39 2k1s s ARG 132 N -3.00 2.86 0.25 0.81 1.70 -1.13 -4.18 118.95 116.26 2k1s s ARG 132 Ca -0.08 -0.63 0.02 0.00 -0.47 0.00 0.00 55.73 54.57 2k1s s ARG 132 Cb 0.06 -5.17 -0.04 0.00 -0.57 0.00 0.00 34.95 29.24 2k1s s ARG 132 CO 0.92 -3.09 0.18 -0.98 -1.08 0.00 0.00 175.30 171.26 2k1s s ARG 133 N 6.35 1.42 -0.34 3.89 1.70 -1.24 -4.22 118.95 126.52 2k1s s ARG 133 Ca 0.63 -1.79 0.02 0.00 -0.47 0.00 0.00 55.73 54.12 2k1s s ARG 133 Cb -0.04 0.27 0.09 0.00 -0.57 0.00 0.00 34.95 34.70 2k1s s ARG 133 CO -0.02 -0.49 0.05 0.08 -1.08 0.00 0.00 175.30 173.85 2k1s s VAL 134 N -3.87 2.56 -0.40 4.99 1.01 -0.34 -2.07 120.40 122.28 2k1s s VAL 134 Ca 0.39 -2.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.19 2k1s s VAL 134 Cb 0.05 -2.75 0.03 0.00 0.00 0.00 0.00 36.38 33.71 2k1s s VAL 134 CO 0.18 -0.47 0.26 -0.70 0.00 0.00 0.00 175.10 174.37 2k1s s GLU 135 N 1.03 2.89 -0.43 2.72 2.12 -0.98 -1.36 118.70 124.69 2k1s s GLU 135 Ca 0.05 -1.08 -0.17 0.00 0.36 0.00 0.00 54.97 54.13 2k1s s GLU 135 Cb -0.20 -3.87 0.02 0.00 0.26 0.00 0.00 34.13 30.34 2k1s s GLU 135 CO -0.06 -0.75 0.45 0.42 -0.54 0.00 0.00 175.26 174.78 2k1s s ILE 136 N 1.62 5.07 -0.40 -3.70 1.01 -0.48 -1.28 121.20 123.04 2k1s s ILE 136 Ca 0.04 -0.36 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 2k1s s ILE 136 Cb -0.19 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.23 2k1s s ILE 136 CO 0.08 -0.45 0.35 -0.89 0.00 0.00 0.00 174.94 174.03 2k1s s THR 137 N 2.17 5.19 -0.51 2.92 2.01 0.51 0.04 115.64 127.97 2k1s s THR 137 Ca 0.12 -0.39 -0.23 0.00 0.31 0.00 0.00 61.69 61.51 2k1s s THR 137 Cb -0.17 -3.93 0.04 0.00 0.01 0.00 0.00 72.50 68.45 2k1s s THR 137 CO 0.14 -0.28 0.83 -0.76 -0.69 0.00 0.00 174.62 173.85 2k1s s LEU 138 N 1.90 4.31 -0.18 4.42 1.43 0.10 -0.33 118.68 130.34 2k1s s LEU 138 Ca 0.09 -0.37 -0.09 0.00 -1.03 0.00 0.00 54.13 52.72 2k1s s LEU 138 Cb -0.18 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 2k1s s LEU 138 CO 0.12 -1.06 0.13 -0.55 0.23 0.00 0.00 176.35 175.22 2k1s s SER 139 N 2.58 6.26 -0.09 2.29 0.15 0.48 -1.84 113.70 123.52 2k1s s SER 139 Ca 0.27 0.30 -0.26 0.00 0.70 0.00 0.00 55.95 56.96 2k1s s SER 139 Cb -0.14 -2.09 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 2k1s s SER 139 CO 0.19 0.24 0.82 -2.16 1.20 0.00 0.00 173.24 173.53 2k1s s PRO 140 N -0.01 4.41 -0.48 5.44 0.05 -1.26 0.28 135.00 143.43 2k1s s PRO 140 Ca 0.10 1.07 -0.28 0.00 0.05 0.00 0.00 61.00 61.94 2k1s s PRO 140 Cb -0.11 -3.50 -0.00 0.00 0.05 0.00 0.00 34.50 30.93 2k1s s PRO 140 CO -0.00 -0.13 1.58 -0.51 0.05 0.00 0.00 177.00 177.98 2k1s s LEU 141 N 1.42 3.45 -0.25 -3.56 1.43 0.37 -4.84 118.68 116.70 2k1s s LEU 141 Ca 0.41 0.67 -0.07 0.00 -1.03 0.00 0.00 54.13 54.11 2k1s s LEU 141 Cb -0.18 -3.20 -0.16 0.00 0.03 0.00 0.00 46.19 42.68 2k1s s LEU 141 CO 0.18 -1.75 -0.19 -0.11 0.23 0.00 0.00 176.35 174.71 2k1s n LEU 142 N 10.06 2.46 0.09 1.79 7.94 -1.26 -4.47 117.00 133.61 2k1s n LEU 142 Ca 0.17 0.13 0.02 0.00 -1.11 0.00 0.00 56.01 55.22 2k1s n LEU 142 Cb 0.49 -0.90 -0.02 0.00 0.53 0.00 0.00 43.42 43.52 2k1s n LEU 142 CO 0.70 0.74 0.12 1.05 -1.11 0.00 0.00 177.39 178.89 2k1s h GLU 143 N -0.47 0.00 -6.26 1.96 4.11 -2.02 -3.44 114.58 108.47 2k1s h GLU 143 Ca -0.60 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.30 2k1s h GLU 143 Cb 1.76 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.95 2k1s h GLU 143 CO -0.22 0.37 1.17 -1.58 0.07 0.00 0.00 179.01 178.83 2k1s s HIS 144 N -2.97 2.08 -0.02 2.06 2.46 -1.26 -4.67 115.29 112.96 2k1s s HIS 144 Ca 0.01 0.41 0.04 0.00 0.47 0.00 0.00 55.06 55.99 2k1s s HIS 144 Cb 0.08 -4.37 -0.06 0.00 -0.13 0.00 0.00 32.58 28.10 2k1s s HIS 144 CO 0.78 -2.14 0.07 0.72 -2.47 0.00 0.00 174.74 171.70 2k1s n HIS 145 N 10.51 0.00 -1.91 3.88 8.25 -1.26 -4.98 115.22 129.71 2k1s n HIS 145 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 2k1s n HIS 145 Cb 0.50 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 2k1s n HIS 145 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k1s s HIS 146 N -2.23 1.75 -0.01 4.41 3.76 -1.26 -4.82 115.29 116.88 2k1s s HIS 146 Ca -0.02 0.19 0.25 0.00 -0.15 0.00 0.00 55.06 55.33 2k1s s HIS 146 Cb 0.02 -4.01 0.43 0.00 1.11 0.00 0.00 32.58 30.13 2k1s s HIS 146 CO 0.17 -4.02 1.17 -2.39 -0.85 0.00 0.00 174.74 168.83 2k1s n HIS 147 N 8.18 0.00 0.00 1.40 1.44 -1.26 -4.99 115.22 119.99 2k1s n HIS 147 Ca 0.20 -0.56 0.00 0.00 -2.01 0.00 0.00 57.72 55.35 2k1s n HIS 147 Cb 0.43 -0.16 0.00 0.00 0.12 0.00 0.00 29.99 30.39 2k1s n HIS 147 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k1s n HIS 148 N 0.40 0.00 -0.65 -1.40 -0.00 -1.26 -5.33 115.22 106.98 2k1s n HIS 148 Ca 0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.25 2k1s n HIS 148 Cb 1.12 -0.26 0.00 0.00 -0.12 0.00 0.00 29.99 30.73 2k1s n HIS 148 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52